Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964
      Sundaresan A, Michel C, Raveau B, Huong P
      Chemistry of Materials 9 (1997) 2212-2217
      Charge-transfer-induced insulator-superconductor transition in
      TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement,
      infrared absorption, and Raman scattering studies
      _cod_database_code 1001791
      _database_code_amcsd 0012214

      CELL PARAMETERS:    3.8526   3.8526  12.2813   90.000   90.000   90.000
      SPACE GROUP: P4/mmm    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    182.287
      Density (g/cm3):      6.905
      MAX. ABS. INTENSITY / VOLUME**2:      163.8077300    
      RIR:      7.725
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                 7.20          4.43       12.2813    0   0   1         2
                14.42          3.66        6.1406    0   0   2         2
                21.71          2.56        4.0938    0   0   3         2
                24.21         14.90        3.6760    1   0   1         8
                27.33         28.66        3.2635    1   0   2         8
                29.08          5.24        3.0703    0   0   4         2
                31.90        100.00        2.8056    1   0   3         8
                32.88         66.93        2.7242    1   1   0         4
                33.70          4.57        2.6596    1   1   1         8
                36.58         12.94        2.4563    0   0   5         2
                37.46          8.90        2.4011    1   0   4         8
                43.71          2.72        2.0711    1   0   5         8
                44.25          6.00        2.0469    0   0   6         2
                44.46         14.03        2.0377    1   1   4         8
                47.18         30.23        1.9263    2   0   0         4
                50.00         10.61        1.8242    1   1   5         8
                50.49          3.32        1.8076    1   0   6         8
                52.13          1.41        1.7545    0   0   7         2
                53.72          1.53        1.7062    2   1   1        16
                55.38          5.11        1.6589    2   1   2        16
                56.21          9.06        1.6364    1   1   6         8
                56.39          1.88        1.6317    2   0   4         8
                57.74          7.73        1.5967    1   0   7         8
                58.08         26.58        1.5880    2   1   3        16
                60.29          1.77        1.5352    0   0   8         2
                61.14          7.18        1.5158    2   0   5         8
                61.74          4.36        1.5025    2   1   4        16
                63.02          1.73        1.4750    1   1   7         8
                65.45          3.13        1.4261    1   0   8         8
                66.67          4.37        1.4028    2   0   6         8
                68.94          6.58        1.3621    2   2   0         4
                70.40          1.71        1.3374    1   1   8         8
                71.59          1.23        1.3181    2   1   6        16
                72.93          2.27        1.2971    2   0   7         8
                77.68          4.27        1.2293    2   1   7        16
                77.98          4.16        1.2253    3   0   3         8
                78.37          1.42        1.2201    1   1   9         8
                78.51          5.64        1.2183    3   1   0         8
                79.90          1.93        1.2005    2   0   8         8
                80.66          2.00        1.1912    2   2   5         8
                81.19          1.05        1.1847    3   0   4         8
                84.54          2.00        1.1462    2   1   8        16
                85.66          1.35        1.1340    2   2   6         8
                85.81          1.37        1.1324    3   1   4        16
                87.03          1.91        1.1196    1   1  10         8
                89.88          1.67        1.0914    3   1   5        16
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.